SCHEMBL2636006

SCHEMBL2636006

O=C(COc1cc(C(=O)O)cc2cc(Cl)cc(Cl)c12)Nc1ccccn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.64
NPC1 O15118 8/20 0.64
TP53 P04637 4/20 0.64
PKM P14618 3/20 0.64
HPGD P15428 3/20 0.64
MITF O75030 1/20 0.64
XBP1 P17861 1/20 0.64
KMT2A Q03164 4/20 0.49
POLB P06746 3/20 0.49
MEN1 O00255 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
LMNA P02545 2/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
RXFP1 Q9HBX9 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2635701 0.86 MEN1 (0.60) RAB9ANPC1HPGDMITFKMT2A
SCHEMBL2636073 0.84 RAB9A (0.53) RAB9ANPC1PKMHPGDKMT2A
SCHEMBL2635376 0.83 GRM4 (0.47) RAB9ANPC1TP53PKMHPGD
SCHEMBL2635480 0.82 TRPM4 (0.55) RAB9ANPC1TP53KMT2APOLB
SCHEMBL2635398 0.82 NOTUM (0.60) RAB9ANPC1KMT2APOLBMEN1
SCHEMBL2635491 0.81 POLB (0.53) RAB9ANPC1TP53HPGDKMT2A
SCHEMBL2635404 0.81 MEN1 (0.54) RAB9ANPC1HPGDKMT2APOLB
SCHEMBL2635646 0.80 NPC1 (0.55) RAB9ANPC1TP53HPGDKMT2A
SCHEMBL2636273 0.80 NPC1 (0.56) RAB9ANPC1KMT2APOLBMEN1
SCHEMBL2636007 0.80 MEN1 (0.50) RAB9ANPC1TP53MITFKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120220577-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO KGAA 2012-08-30 US claimed
EP-2438037-A1 GLYCINE B ANTAGONISTS Merz Pharma GmbH & Co. KGaA (DE) 2012-04-11 EP claimed
WO-2010139481-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO. KGAA (DE) 2010-12-09 WO claimed
US-20120220577-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO KGAA 2012-08-30 US disclosed
EP-2438037-A1 GLYCINE B ANTAGONISTS Merz Pharma GmbH & Co. KGaA (DE) 2012-04-11 EP disclosed
WO-2010139481-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO. KGAA (DE) 2010-12-09 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120220577-A1 GLYCINE B ANTAGONISTS GLRB, GRIN2B, GLRA2 RAB9A 2053/4885NPC1 215/4885TP53 4104/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.